General Information of the Compound
| Compound ID |
CP0520318
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| Compound Name |
US8791272, 2.24
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| Structure |
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| Formula |
C23H23BrClN3O3
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| Molecular Weight |
504.812
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3Br)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H23BrClN3O3/c1-3-20-18(12-22(29)30)21(4-2)28(27-20)13-14-5-8-16(9-6-14)26-23(31)17-10-7-15(25)11-19(17)24/h5-11H,3-4,12-13H2,1-2H3,(H,26,31)(H,29,30)
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| InChIKey |
WVMZYJGHEIBZRM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound